6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione

C17H14F2N2O2 — CID 154846556

IUPAC6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2ccc(F)cc2)NC(=O)N1Cc1ccccc1F
InChIInChI=1S/C17H14F2N2O2/c18-13-7-5-11(6-8-13)15-9-16(22)21(17(23)20-15)10-12-3-1-2-4-14(12)19/h1-8,15H,9-10H2,(H,20,23)
InChIKeyNTTKKVZJDFQWSM-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.15
Rot. Bonds3

About 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione

6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 154846556) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID154846556
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2ccc(F)cc2)NC(=O)N1Cc1ccccc1F
InChIInChI=1S/C17H14F2N2O2/c18-13-7-5-11(6-8-13)15-9-16(22)21(17(23)20-15)10-12-3-1-2-4-14(12)19/h1-8,15H,9-10H2,(H,20,23)
InChIKeyNTTKKVZJDFQWSM-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione (CID 154846556) is 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione is O=C1CC(c2ccc(F)cc2)NC(=O)N1Cc1ccccc1F.
What is the InChIKey of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is NTTKKVZJDFQWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-13-7-5-11(6-8-13)15-9-16(22)21(17(23)20-15)10-12-3-1-2-4-14(12)19/h1-8,15H,9-10H2,(H,20,23).
What are the key properties of 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione?
6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 316.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 154846556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).